3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide

C22H22N2O3S — CID 109065745

IUPAC3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1C
InChIInChI=1S/C22H22N2O3S/c1-16-12-13-19(14-17(16)2)23-28(26,27)21-11-7-8-18(15-21)22(25)24(3)20-9-5-4-6-10-20/h4-15,23H,1-3H3
InChIKeyFZNNIICRFUCADP-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.38
Rot. Bonds5

About 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide

3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide (PubChem CID 109065745) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
PubChem CID109065745
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1C
InChIInChI=1S/C22H22N2O3S/c1-16-12-13-19(14-17(16)2)23-28(26,27)21-11-7-8-18(15-21)22(25)24(3)20-9-5-4-6-10-20/h4-15,23H,1-3H3
InChIKeyFZNNIICRFUCADP-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
CID 112838625
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 67665242
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide
CID 34494912
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
3,4-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 26980942
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide
CID 47784348

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide (CID 109065745) is 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
The InChIKey is FZNNIICRFUCADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-12-13-19(14-17(16)2)23-28(26,27)21-11-7-8-18(15-21)22(25)24(3)20-9-5-4-6-10-20/h4-15,23H,1-3H3.
What are the key properties of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 109065745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).